SCHEMBL13267753

SCHEMBL13267753

CCCCCCCc1csc(C(=O)CC)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.44
PTGS2 P35354 3/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
GPR35 Q9HC97 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DAO P14920 1/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARA Q07869 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
RARB P10826 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30372303 0.87 GPR35 (0.48) GPR84PTGS2THRATHRBGPR35
SCHEMBL15177362 0.85 MAPT (0.61) GPR84PTGS2THRATHRBGPR35
SCHEMBL2490471 0.85 DAO (0.58) GPR84PTGS2GPR35MAPTDAO
SCHEMBL11718951 0.85 DAO (0.58) GPR84PTGS2GPR35MAPTDAO
SCHEMBL11453552 0.85 MAPT (0.61) GPR84PTGS2THRATHRBGPR35
SCHEMBL11024967 0.85 DAO (0.58) GPR84PTGS2GPR35MAPTDAO
SCHEMBL11885368 0.84 GPR84 (0.44) GPR84PTGS2THRATHRBGPR35
SCHEMBL11023368 0.84 HPGD (0.56) GPR84PTGS2GPR35MAPTNPSR1
SCHEMBL6143579 0.82 HPGD (0.58) GPR84PTGS2GPR35MAPTNPSR1
SCHEMBL13246808 0.81 GPR84 (0.41) GPR84PTGS2GPR35MAPTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 GPR84 915/4885PTGS2 2215/4885THRA 4272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.